[(E)-[(3E)-3-(2-cyanoethylhydrazinylidene)-1-oxidanylidene-1-phenylazanyl-butan-2-ylidene]amino] 4-nitrobenzoate

Systemtic Name: [(E)-[(3E)-3-(2-cyanoethylhydrazinylidene)-1-oxidanylidene-1-phenylazanyl-butan-2-ylidene]amino] 4-nitrobenzoate Openeye Name: [(E)-[(2E)-2-(2-cyanoethylhydrazono)-1-(phenylcarbamoyl)propylidene]amino] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(E)-[(3E)-1-anilino-3-(2-cyanoethylhydrazinylidene)-1-oxobutan-2-ylidene]amino] ester IUPAC Name: [(E)-[(3E)-1-anilino-3-(2-cyanoethylhydrazinylidene)-1-oxobutan-2-ylidene]amino] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(E)-[(2E)-2-(2-cyanoethylhydrazono)-1-(phenylcarbamoyl)propylidene]amino] ester Formula: C20H18N6O5 MolecularWeight: 422.39412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNCCC#N)C(=NOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=CC=C2

Isomeric SMILES

C/C(=N\NCCC#N)/C(=N\OC(=O)C1=CC=C(C=C1)[N+](=O)[O-])/C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H18N6O5/c1-14(24-22-13-5-12-21)18(19(27)23-16-6-3-2-4-7-16)25-31-20(28)15-8-10-17(11-9-15)26(29)30/h2-4,6-11,22H,5,13H2,1H3,(H,23,27)/b24-14+,25-18+