N-(3-methoxy-4-nitro-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(3-methoxy-4-nitro-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(3-methoxy-4-nitro-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(3-methoxy-4-nitrophenyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(3-methoxy-4-nitrophenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(3-methoxy-4-nitro-phenyl)-3-nitro-4-pyrrolidino-benzamide Formula: C18H18N4O6 MolecularWeight: 386.35872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O6/c1-28-17-11-13(5-7-15(17)21(24)25)19-18(23)12-4-6-14(16(10-12)22(26)27)20-8-2-3-9-20/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,23)