2-[(4-methyl-2,6-dinitro-phenyl)amino]ethyl 4-nitrobenzoate

Systemtic Name: 2-[(4-methyl-2,6-dinitro-phenyl)amino]ethyl 4-nitrobenzoate Openeye Name: 2-(4-methyl-2,6-dinitro-anilino)ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(4-methyl-2,6-dinitroanilino)ethyl ester IUPAC Name: 2-(4-methyl-2,6-dinitroanilino)ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-(4-methyl-2,6-dinitro-anilino)ethyl ester Formula: C16H14N4O8 MolecularWeight: 390.30436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])NCCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O8/c1-10-8-13(19(24)25)15(14(9-10)20(26)27)17-6-7-28-16(21)11-2-4-12(5-3-11)18(22)23/h2-5,8-9,17H,6-7H2,1H3