4-azanyl-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-nitro-benzamide

Systemtic Name: 4-azanyl-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-nitro-benzamide Openeye Name: 4-amino-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-nitro-benzamide CAS Name: 4-amino-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-amino-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-nitrobenzamide Traditional Name: 4-amino-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-nitro-benzamide Formula: C17H18N4O7 MolecularWeight: 390.34742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C17H18N4O7/c1-27-15-8-10(13(20(23)24)9-16(15)28-2)5-6-19-17(22)11-3-4-12(18)14(7-11)21(25)26/h3-4,7-9H,5-6,18H2,1-2H3,(H,19,22)