8-[(3-methoxy-2-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-5H-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 8-[(3-methoxy-2-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-5H-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 8-[(3-methoxy-2-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-5H-benzo[b][1,4]benzoxazepin-6-one CAS Name: 8-[(3-methoxy-2-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-5H-benzo[b][1,4]benzoxazepin-6-one IUPAC Name: 8-[(3-methoxy-2-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-5H-benzo[b][1,4]benzoxazepin-6-one Traditional Name: 8-[(4-keto-3-methoxy-2-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]-5H-benzo[b][1,4]benzoxazepin-6-one Formula: C21H15N3O6 MolecularWeight: 405.3603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CNC2=CC3=C(C=C2)OC4=CC=CC=C4NC3=O)C=CC1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CNC2=CC3=C(C=C2)OC4=CC=CC=C4NC3=O)C=CC1=O)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O6/c1-29-20-16(25)8-6-12(19(20)24(27)28)11-22-13-7-9-17-14(10-13)21(26)23-15-4-2-3-5-18(15)30-17/h2-11,22H,1H3,(H,23,26)