ethyl 3-[2-[(2-cyanophenyl)methyl]butanoylamino]-4-nitro-benzoate

Systemtic Name: ethyl 3-[2-[(2-cyanophenyl)methyl]butanoylamino]-4-nitro-benzoate Openeye Name: ethyl 3-[2-[(2-cyanophenyl)methyl]butanoylamino]-4-nitro-benzoate CAS Name: 3-[[2-[(2-cyanophenyl)methyl]-1-oxobutyl]amino]-4-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-[(2-cyanophenyl)methyl]butanoylamino]-4-nitrobenzoate Traditional Name: 3-[2-(2-cyanobenzyl)butanoylamino]-4-nitro-benzoic acid ethyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1C#N)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCC(CC1=CC=CC=C1C#N)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5/c1-3-14(11-15-7-5-6-8-17(15)13-22)20(25)23-18-12-16(21(26)29-4-2)9-10-19(18)24(27)28/h5-10,12,14H,3-4,11H2,1-2H3,(H,23,25)