3-methylbutyl 4-azanyl-3-nitro-benzoate

Systemtic Name: 3-methylbutyl 4-azanyl-3-nitro-benzoate Openeye Name: isopentyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid isoamyl ester Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4/c1-8(2)5-6-18-12(15)9-3-4-10(13)11(7-9)14(16)17/h3-4,7-8H,5-6,13H2,1-2H3