[2-(2-azanyl-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl)phenyl] 3-nitrobenzoate

Systemtic Name: [2-(2-azanyl-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl)phenyl] 3-nitrobenzoate Openeye Name: [2-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-4-yl)phenyl] ester IUPAC Name: [2-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(2-amino-3-cyano-5-keto-4,6,7,8-tetrahydrochromen-4-yl)phenyl] ester Formula: C23H17N3O6 MolecularWeight: 431.39758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1

InChI

InChI=1S/C23H17N3O6/c24-12-16-20(21-17(27)8-4-10-19(21)31-22(16)25)15-7-1-2-9-18(15)32-23(28)13-5-3-6-14(11-13)26(29)30/h1-3,5-7,9,11,20H,4,8,10,25H2