ethyl 2-[1,3-benzodioxol-5-ylmethyl-(7-chloranyl-6-nitro-quinazolin-4-yl)amino]ethanoate

Systemtic Name: ethyl 2-[1,3-benzodioxol-5-ylmethyl-(7-chloranyl-6-nitro-quinazolin-4-yl)amino]ethanoate Openeye Name: ethyl 2-[1,3-benzodioxol-5-ylmethyl-(7-chloro-6-nitro-quinazolin-4-yl)amino]acetate CAS Name: 2-[1,3-benzodioxol-5-ylmethyl-(7-chloro-6-nitro-4-quinazolinyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[1,3-benzodioxol-5-ylmethyl-(7-chloro-6-nitroquinazolin-4-yl)amino]acetate Traditional Name: 2-[(7-chloro-6-nitro-quinazolin-4-yl)-piperonyl-amino]acetic acid ethyl ester Formula: C20H17ClN4O6 MolecularWeight: 444.82518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC1=CC2=C(C=C1)OCO2)C3=NC=NC4=CC(=C(C=C43)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)CN(CC1=CC2=C(C=C1)OCO2)C3=NC=NC4=CC(=C(C=C43)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H17ClN4O6/c1-2-29-19(26)9-24(8-12-3-4-17-18(5-12)31-11-30-17)20-13-6-16(25(27)28)14(21)7-15(13)22-10-23-20/h3-7,10H,2,8-9,11H2,1H3