3-[(carboxymethylcarbamoylamino)methyl]-2-[1-[[(E)-3-[4-[(E)-diazanylidenemethyl]phenyl]prop-2-enoyl]amino]ethyl]benzoic acid

Systemtic Name: 3-[(carboxymethylcarbamoylamino)methyl]-2-[1-[[(E)-3-[4-[(E)-diazanylidenemethyl]phenyl]prop-2-enoyl]amino]ethyl]benzoic acid Openeye Name: 3-[(carboxymethylcarbamoylamino)methyl]-2-[1-[[(E)-3-[4-[(E)-hydrazinylidenemethyl]phenyl]prop-2-enoyl]amino]ethyl]benzoic acid CAS Name: 3-[[[(carboxymethylamino)-oxomethyl]amino]methyl]-2-[1-[[(E)-3-[4-[(E)-hydrazinylidenemethyl]phenyl]-1-oxoprop-2-enyl]amino]ethyl]benzoic acid IUPAC Name: 3-[(carboxymethylcarbamoylamino)methyl]-2-[1-[[(E)-3-[4-[(E)-hydrazinylidenemethyl]phenyl]prop-2-enoyl]amino]ethyl]benzoic acid Traditional Name: 3-[(carboxymethylcarbamoylamino)methyl]-2-[1-[[(E)-3-[4-[(E)-hydrazonomethyl]phenyl]acryloyl]amino]ethyl]benzoic acid Formula: C23H25N5O6 MolecularWeight: 467.4745

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC=C1CNC(=O)NCC(=O)O)C(=O)O)NC(=O)C=CC2=CC=C(C=C2)C=NN

Isomeric SMILES

CC(C1=C(C=CC=C1CNC(=O)NCC(=O)O)C(=O)O)NC(=O)/C=C/C2=CC=C(C=C2)/C=N/N

InChI

InChI=1S/C23H25N5O6/c1-14(28-19(29)10-9-15-5-7-16(8-6-15)11-27-24)21-17(3-2-4-18(21)22(32)33)12-25-23(34)26-13-20(30)31/h2-11,14H,12-13,24H2,1H3,(H,28,29)(H,30,31)(H,32,33)(H2,25,26,34)/b10-9+,27-11+