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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-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 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C18H17N7O4 MolecularWeight: 395.37208

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N7O4/c1-20-13-8-7-11(9-14(13)25(27)28)16(26)29-10-15-22-17(19)24-18(23-15)21-12-5-3-2-4-6-12/h2-9,20H,10H2,1H3,(H3,19,21,22,23,24)