3-[[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]azepan-2-one

Systemtic Name: 3-[[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]azepan-2-one Openeye Name: 3-[[(E)-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]azepan-2-one CAS Name: 3-[[(E)-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-2-azepanone IUPAC Name: 3-[[(E)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]azepan-2-one Traditional Name: 3-[[(E)-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]azepan-2-one Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC=C2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

C1CCNC(=O)C(C1)N/C=C/2\C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O4/c17-12-5-4-10(16(19)20)7-9(12)8-15-11-3-1-2-6-14-13(11)18/h4-5,7-8,11,15H,1-3,6H2,(H,14,18)/b9-8+