2-azanylidene-3-(1H-benzimidazol-2-yl)-7-nitro-1,5-benzoxazepine-3-carbaldehyde

Systemtic Name: 2-azanylidene-3-(1H-benzimidazol-2-yl)-7-nitro-1,5-benzoxazepine-3-carbaldehyde Openeye Name: 3-(1H-benzimidazol-2-yl)-2-imino-7-nitro-1,5-benzoxazepine-3-carbaldehyde CAS Name: 3-(1H-benzimidazol-2-yl)-2-imino-7-nitro-1,5-benzoxazepine-3-carboxaldehyde IUPAC Name: 3-(1H-benzimidazol-2-yl)-2-imino-7-nitro-1,5-benzoxazepine-3-carbaldehyde Traditional Name: 3-(1H-benzimidazol-2-yl)-2-imino-7-nitro-1,5-benzoxazepine-3-carbaldehyde Formula: C17H11N5O4 MolecularWeight: 349.30034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C3(C=NC4=C(C=CC(=C4)[N+](=O)[O-])OC3=N)C=O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C3(C=NC4=C(C=CC(=C4)[N+](=O)[O-])OC3=N)C=O

InChI

InChI=1S/C17H11N5O4/c18-15-17(9-23,16-20-11-3-1-2-4-12(11)21-16)8-19-13-7-10(22(24)25)5-6-14(13)26-15/h1-9,18H,(H,20,21)