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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic 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 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic 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:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N7O5/c21-19-24-16(25-20(26-19)23-14-4-2-1-3-5-14)12-32-17(28)10-11-22-18(29)13-6-8-15(9-7-13)27(30)31/h1-9H,10-12H2,(H,22,29)(H3,21,23,24,25,26)