methyl 4,5-dimethoxy-2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]benzoate CAS Name: 4,5-dimethoxy-2-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[(3-nitro-4-pyrrolidino-benzoyl)amino]benzoic acid methyl ester Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O7/c1-29-18-11-14(21(26)31-3)15(12-19(18)30-2)22-20(25)13-6-7-16(17(10-13)24(27)28)23-8-4-5-9-23/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,22,25)