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

Systemtic Name: methyl 3-[(2-methyl-4-pyrrolidin-1-yl-phenyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(2-methyl-4-pyrrolidin-1-yl-phenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-methyl-4-(1-pyrrolidinyl)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(2-methyl-4-pyrrolidin-1-ylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2-methyl-4-pyrrolidino-phenyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H21N3O5/c1-13-9-16(22-7-3-4-8-22)5-6-18(13)21-19(24)14-10-15(20(25)28-2)12-17(11-14)23(26)27/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,21,24)