3-methylbutyl 3-[(2,4-dinitrophenyl)amino]benzoate

Systemtic Name: 3-methylbutyl 3-[(2,4-dinitrophenyl)amino]benzoate Openeye Name: isopentyl 3-(2,4-dinitroanilino)benzoate CAS Name: 3-(2,4-dinitroanilino)benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3-(2,4-dinitroanilino)benzoate Traditional Name: 3-(2,4-dinitroanilino)benzoic acid isoamyl ester Formula: C18H19N3O6 MolecularWeight: 373.35996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O6/c1-12(2)8-9-27-18(22)13-4-3-5-14(10-13)19-16-7-6-15(20(23)24)11-17(16)21(25)26/h3-7,10-12,19H,8-9H2,1-2H3