(2E)-7-nitro-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,5-dihydro-1,5-benzodiazepin-4-one

Systemtic Name: (2E)-7-nitro-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,5-dihydro-1,5-benzodiazepin-4-one Openeye Name: (2E)-7-nitro-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,5-dihydro-1,5-benzodiazepin-4-one CAS Name: (2E)-7-nitro-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-1,5-dihydro-1,5-benzodiazepin-4-one IUPAC Name: (2E)-7-nitro-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,5-dihydro-1,5-benzodiazepin-4-one Traditional Name: (2E)-2-(6-ketocyclohexa-2,4-dien-1-ylidene)-7-nitro-1,5-dihydro-1,5-benzodiazepin-4-one Formula: C15H11N3O4 MolecularWeight: 297.26554

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C2C=CC=CC2=O)NC3=C(C=C(C=C3)[N+](=O)[O-])NC1=O

Isomeric SMILES

C1/C(=C\2/C=CC=CC2=O)/NC3=C(C=C(C=C3)[N+](=O)[O-])NC1=O

InChI

InChI=1S/C15H11N3O4/c19-14-4-2-1-3-10(14)12-8-15(20)17-13-7-9(18(21)22)5-6-11(13)16-12/h1-7,16H,8H2,(H,17,20)/b12-10+