(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-[(3-nitrophenyl)carbonylamino]ethanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-[(3-nitrophenyl)carbonylamino]ethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[(3-nitrobenzoyl)amino]acetate CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]acetic 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-[(3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-nitrobenzoyl)amino]acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C19H17N7O5 MolecularWeight: 423.38218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N7O5/c20-18-23-15(24-19(25-18)22-13-6-2-1-3-7-13)11-31-16(27)10-21-17(28)12-5-4-8-14(9-12)26(29)30/h1-9H,10-11H2,(H,21,28)(H3,20,22,23,24,25)