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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[(3-methyl-4-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-methyl-4-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-methyl-4-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-methyl-4-nitro-benzoyl)amino]acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H19N7O5 MolecularWeight: 437.40876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C20H19N7O5/c1-12-9-13(7-8-15(12)27(30)31)18(29)22-10-17(28)32-11-16-24-19(21)26-20(25-16)23-14-5-3-2-4-6-14/h2-9H,10-11H2,1H3,(H,22,29)(H3,21,23,24,25,26)