ethyl 3-[(3-methylbutanoylamino)carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(3-methylbutanoylamino)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(3-methylbutanoylamino)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(3-methyl-1-oxobutyl)hydrazo]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-methylbutanoylamino)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(isovalerylamino)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C15H19N3O6 MolecularWeight: 337.32786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O6/c1-4-24-15(21)11-6-10(7-12(8-11)18(22)23)14(20)17-16-13(19)5-9(2)3/h6-9H,4-5H2,1-3H3,(H,16,19)(H,17,20)