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

Systemtic Name: methyl 4-methyl-3-[(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-methyl-3-[(5-nitro-2-pyrrolidin-1-yl-benzoyl)amino]benzoate CAS Name: 4-methyl-3-[[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[(5-nitro-2-pyrrolidin-1-ylbenzoyl)amino]benzoate Traditional Name: 4-methyl-3-[(5-nitro-2-pyrrolidino-benzoyl)amino]benzoic acid methyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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