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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-chloranyl-5-nitro-benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-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-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C17H13ClN6O4 MolecularWeight: 400.77592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H13ClN6O4/c18-13-7-6-11(24(26)27)8-12(13)15(25)28-9-14-21-16(19)23-17(22-14)20-10-4-2-1-3-5-10/h1-8H,9H2,(H3,19,20,21,22,23)