4-[[(E)-1-(cyclohexylamino)-4-methoxy-1,4-bis(oxidanylidene)but-2-en-2-yl]amino]benzoate

Systemtic Name: 4-[[(E)-1-(cyclohexylamino)-4-methoxy-1,4-bis(oxidanylidene)but-2-en-2-yl]amino]benzoate Openeye Name: 4-[[(E)-1-(cyclohexylcarbamoyl)-3-methoxy-3-oxo-prop-1-enyl]amino]benzoate CAS Name: 4-[[(E)-1-(cyclohexylamino)-4-methoxy-1,4-dioxobut-2-en-2-yl]amino]benzoate IUPAC Name: 4-[[(E)-1-(cyclohexylamino)-4-methoxy-1,4-dioxobut-2-en-2-yl]amino]benzoate Traditional Name: 4-[[(E)-1-(cyclohexylcarbamoyl)-3-keto-3-methoxy-prop-1-enyl]amino]benzoate Formula: C18H21N2O5- MolecularWeight: 345.36974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)NC1CCCCC1)NC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

COC(=O)/C=C(\C(=O)NC1CCCCC1)/NC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C18H22N2O5/c1-25-16(21)11-15(17(22)20-13-5-3-2-4-6-13)19-14-9-7-12(8-10-14)18(23)24/h7-11,13,19H,2-6H2,1H3,(H,20,22)(H,23,24)/p-1/b15-11+