ethyl 3-nitro-5-[[4-(prop-2-enylcarbamoylamino)phenyl]carbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[[4-(prop-2-enylcarbamoylamino)phenyl]carbamoyl]benzoate Openeye Name: ethyl 3-[[4-(allylcarbamoylamino)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-[4-[[oxo-(prop-2-enylamino)methyl]amino]anilino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[[4-(prop-2-enylcarbamoylamino)phenyl]carbamoyl]benzoate Traditional Name: 3-[[4-(allylcarbamoylamino)phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)NCC=C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6/c1-3-9-21-20(27)23-16-7-5-15(6-8-16)22-18(25)13-10-14(19(26)30-4-2)12-17(11-13)24(28)29/h3,5-8,10-12H,1,4,9H2,2H3,(H,22,25)(H2,21,23,27)