ethyl 2-methyl-6-(4-nitrophenyl)-3-phenylazanyl-4-pyrrolidin-1-yl-benzoate

Systemtic Name: ethyl 2-methyl-6-(4-nitrophenyl)-3-phenylazanyl-4-pyrrolidin-1-yl-benzoate Openeye Name: ethyl 3-anilino-2-methyl-6-(4-nitrophenyl)-4-pyrrolidin-1-yl-benzoate CAS Name: 3-anilino-2-methyl-6-(4-nitrophenyl)-4-(1-pyrrolidinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-anilino-2-methyl-6-(4-nitrophenyl)-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-anilino-2-methyl-6-(4-nitrophenyl)-4-pyrrolidino-benzoic acid ethyl ester Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C=C1C2=CC=C(C=C2)[N+](=O)[O-])N3CCCC3)NC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C=C1C2=CC=C(C=C2)[N+](=O)[O-])N3CCCC3)NC4=CC=CC=C4)C

InChI

InChI=1S/C26H27N3O4/c1-3-33-26(30)24-18(2)25(27-20-9-5-4-6-10-20)23(28-15-7-8-16-28)17-22(24)19-11-13-21(14-12-19)29(31)32/h4-6,9-14,17,27H,3,7-8,15-16H2,1-2H3