(4-azanylquinazolin-2-yl)methyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 2-[(4-chloro-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]acetic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 2-[(4-chloro-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]acetic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C18H14ClN5O5 MolecularWeight: 415.78726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)COC(=O)CNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)COC(=O)CNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C18H14ClN5O5/c19-12-6-5-10(7-14(12)24(27)28)18(26)21-8-16(25)29-9-15-22-13-4-2-1-3-11(13)17(20)23-15/h1-7H,8-9H2,(H,21,26)(H2,20,22,23)