[1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(1-phenylbutylamino)ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [1-oxo-1-(1-phenylbutylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylbutylamino)propan-2-yl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-keto-1-methyl-2-(1-phenylbutylamino)ethyl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-4-8-18(15-9-6-5-7-10-15)23-20(25)14(2)29-21(26)17-13-16(24(27)28)11-12-19(17)22-3/h5-7,9-14,18,22H,4,8H2,1-3H3,(H,23,25)