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

Systemtic Name: ethyl 3-[(2-methyl-4-pyrrolidin-1-yl-phenyl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 3-[(2-methyl-4-pyrrolidin-1-ylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2-methyl-4-pyrrolidino-phenyl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-3-29-21(26)16-11-15(12-18(13-16)24(27)28)20(25)22-19-7-6-17(10-14(19)2)23-8-4-5-9-23/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,22,25)