3-methylbutyl 2-nitro-6-[(3-nitrophenyl)carbamoyl]benzoate

Systemtic Name: 3-methylbutyl 2-nitro-6-[(3-nitrophenyl)carbamoyl]benzoate Openeye Name: isopentyl 2-nitro-6-[(3-nitrophenyl)carbamoyl]benzoate CAS Name: 2-nitro-6-[(3-nitroanilino)-oxomethyl]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-nitro-6-[(3-nitrophenyl)carbamoyl]benzoate Traditional Name: 2-nitro-6-[(3-nitrophenyl)carbamoyl]benzoic acid isoamyl ester Formula: C19H19N3O7 MolecularWeight: 401.37006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC(=O)C1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O7/c1-12(2)9-10-29-19(24)17-15(7-4-8-16(17)22(27)28)18(23)20-13-5-3-6-14(11-13)21(25)26/h3-8,11-12H,9-10H2,1-2H3,(H,20,23)