3-methylbutyl 2-azanyl-5-nitro-benzoate

Systemtic Name: 3-methylbutyl 2-azanyl-5-nitro-benzoate Openeye Name: isopentyl 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-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=C(C=CC(=C1)[N+](=O)[O-])N

Isomeric SMILES

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

InChI

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