(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-methoxy-5-nitro-benzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-methoxy-5-nitro-benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C18H16N6O5 MolecularWeight: 396.35684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C18H16N6O5/c1-28-14-8-7-12(24(26)27)9-13(14)16(25)29-10-15-21-17(19)23-18(22-15)20-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H3,19,20,21,22,23)