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

Systemtic Name: 3-methylbutyl 4-[(2,4-dinitrophenyl)amino]benzoate Openeye Name: isopentyl 4-(2,4-dinitroanilino)benzoate CAS Name: 4-(2,4-dinitroanilino)benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-(2,4-dinitroanilino)benzoate Traditional Name: 4-(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=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

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