[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] (4E)-4-[(3-nitrophenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-(3-nitrobenzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C27H22N4O5 MolecularWeight: 482.48738

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=C2CCCC(=CC3=CC(=CC=C3)[N+](=O)[O-])C2=NC4=CC=CC=C41)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=C2CCC/C(=C\C3=CC(=CC=C3)[N+](=O)[O-])/C2=NC4=CC=CC=C41)/N

InChI

InChI=1S/C27H22N4O5/c1-16(29)22(14-28)24(32)15-36-27(33)25-20-9-2-3-11-23(20)30-26-18(7-5-10-21(25)26)12-17-6-4-8-19(13-17)31(34)35/h2-4,6,8-9,11-13H,5,7,10,15,29H2,1H3/b18-12+,22-16+