methyl 3-[(3-methyl-4-nitro-phenyl)carbonylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[(3-methyl-4-nitro-phenyl)carbonylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[(3-methyl-4-nitro-benzoyl)amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(3-methyl-4-nitrobenzoyl)amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[(3-methyl-4-nitro-benzoyl)amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCC3)[N+](=O)[O-]

InChI

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