4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-nitro-8-prop-2-enyl-1H-quinazolin-7-one

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-nitro-8-prop-2-enyl-1H-quinazolin-7-one Openeye Name: 8-allyl-4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-nitro-1H-quinazolin-7-one CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-nitro-8-prop-2-enyl-1H-quinazolin-7-one IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-nitro-8-prop-2-enyl-1H-quinazolin-7-one Traditional Name: 8-allyl-4-[(3-chloro-4-methoxy-benzyl)amino]-6-nitro-1H-quinazolin-7-one Formula: C19H17ClN4O4 MolecularWeight: 400.81568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C(=O)C(=C3NC=N2)CC=C)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C(=O)C(=C3NC=N2)CC=C)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H17ClN4O4/c1-3-4-12-17-13(8-15(18(12)25)24(26)27)19(23-10-22-17)21-9-11-5-6-16(28-2)14(20)7-11/h3,5-8,10,21H,1,4,9H2,2H3,(H,22,23)