methyl 5-[[(2,4-dinitrophenyl)amino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[(2,4-dinitrophenyl)amino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[(2,4-dinitroanilino)methyl]-2-methoxy-benzoate CAS Name: 5-[(2,4-dinitroanilino)methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[(2,4-dinitroanilino)methyl]-2-methoxybenzoate Traditional Name: 5-[(2,4-dinitroanilino)methyl]-2-methoxy-benzoic acid methyl ester Formula: C16H15N3O7 MolecularWeight: 361.3062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H15N3O7/c1-25-15-6-3-10(7-12(15)16(20)26-2)9-17-13-5-4-11(18(21)22)8-14(13)19(23)24/h3-8,17H,9H2,1-2H3