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

Systemtic Name: methyl 3-[(3-methylbutanoylamino)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(3-methylbutanoylamino)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(3-methyl-1-oxobutyl)hydrazo]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(3-methylbutanoylamino)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(isovalerylamino)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C14H17N3O6 MolecularWeight: 323.30128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O6/c1-8(2)4-12(18)15-16-13(19)9-5-10(14(20)23-3)7-11(6-9)17(21)22/h5-8H,4H2,1-3H3,(H,15,18)(H,16,19)