ethyl 3-[(4-aminocarbonylphenyl)methyl-cyclopropyl-carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(4-aminocarbonylphenyl)methyl-cyclopropyl-carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(4-carbamoylphenyl)methyl-cyclopropyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(4-carbamoylphenyl)methyl-cyclopropylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-carbamoylphenyl)methyl-cyclopropylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-carbamoylbenzyl)-cyclopropyl-carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(CC2=CC=C(C=C2)C(=O)N)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(CC2=CC=C(C=C2)C(=O)N)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c1-2-30-21(27)16-9-15(10-18(11-16)24(28)29)20(26)23(17-7-8-17)12-13-3-5-14(6-4-13)19(22)25/h3-6,9-11,17H,2,7-8,12H2,1H3,(H2,22,25)