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

Systemtic Name: ethyl 3-[2-(2-methylpropanoylamino)ethylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[2-(2-methylpropanoylamino)ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-[(2-methyl-1-oxopropyl)amino]ethylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2-methylpropanoylamino)ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[2-(isobutyrylamino)ethylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCNC(=O)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCNC(=O)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O6/c1-4-25-16(22)12-7-11(8-13(9-12)19(23)24)15(21)18-6-5-17-14(20)10(2)3/h7-10H,4-6H2,1-3H3,(H,17,20)(H,18,21)