ethyl 3-[[3-(2-methylpropanoylamino)phenyl]methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[3-(2-methylpropanoylamino)phenyl]methylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[3-(2-methylpropanoylamino)phenyl]methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[3-(2-methylpropanoylamino)phenyl]methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[3-(isobutyrylamino)benzyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC(=CC=C2)NC(=O)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC(=CC=C2)NC(=O)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-4-30-21(27)16-9-15(10-18(11-16)24(28)29)20(26)22-12-14-6-5-7-17(8-14)23-19(25)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,22,26)(H,23,25)