N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-3-(3-nitro-4-oxidanyl-phenoxy)propanamide

Systemtic Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-3-(3-nitro-4-oxidanyl-phenoxy)propanamide Openeye Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-3-(4-hydroxy-3-nitro-phenoxy)propanamide CAS Name: N-[4-[(6,7-dimethoxy-4-quinazolinyl)amino]phenyl]-3-(4-hydroxy-3-nitrophenoxy)propanamide IUPAC Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-3-(4-hydroxy-3-nitrophenoxy)propanamide Traditional Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-3-(4-hydroxy-3-nitro-phenoxy)propionamide Formula: C25H23N5O7 MolecularWeight: 505.47942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)CCOC4=CC(=C(C=C4)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)CCOC4=CC(=C(C=C4)O)[N+](=O)[O-])OC

InChI

InChI=1S/C25H23N5O7/c1-35-22-12-18-19(13-23(22)36-2)26-14-27-25(18)29-16-5-3-15(4-6-16)28-24(32)9-10-37-17-7-8-21(31)20(11-17)30(33)34/h3-8,11-14,31H,9-10H2,1-2H3,(H,28,32)(H,26,27,29)