3-[4-[(3,5-dinitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]chromen-2-one

Systemtic Name: 3-[4-[(3,5-dinitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]chromen-2-one Openeye Name: 3-[4-[(3,5-dinitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]chromen-2-one CAS Name: 3-[4-[(3,5-dinitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenyl]-1-benzopyran-2-one IUPAC Name: 3-[4-[(3,5-dinitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]chromen-2-one Traditional Name: 3-[4-[(6-keto-3,5-dinitro-cyclohexa-2,4-dien-1-ylidene)methylamino]phenyl]coumarin Formula: C22H13N3O7 MolecularWeight: 431.35452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC=C(C=C3)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC=C(C=C3)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H13N3O7/c26-21-15(9-17(24(28)29)11-19(21)25(30)31)12-23-16-7-5-13(6-8-16)18-10-14-3-1-2-4-20(14)32-22(18)27/h1-12,23H