(E)-3-[2-azanyl-8-methoxy-5-(3-nitrophenyl)quinazolin-7-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-azanyl-8-methoxy-5-(3-nitrophenyl)quinazolin-7-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-amino-8-methoxy-5-(3-nitrophenyl)quinazolin-7-yl]prop-2-enoic acid CAS Name: (E)-3-[2-amino-8-methoxy-5-(3-nitrophenyl)-7-quinazolinyl]-2-propenoic acid IUPAC Name: (E)-3-[2-amino-8-methoxy-5-(3-nitrophenyl)quinazolin-7-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-amino-8-methoxy-5-(3-nitrophenyl)quinazolin-7-yl]acrylic acid Formula: C18H14N4O5 MolecularWeight: 366.32756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C2=CN=C(N=C21)N)C3=CC(=CC=C3)[N+](=O)[O-])C=CC(=O)O

Isomeric SMILES

COC1=C(C=C(C2=CN=C(N=C21)N)C3=CC(=CC=C3)[N+](=O)[O-])/C=C/C(=O)O

InChI

InChI=1S/C18H14N4O5/c1-27-17-11(5-6-15(23)24)8-13(14-9-20-18(19)21-16(14)17)10-3-2-4-12(7-10)22(25)26/h2-9H,1H3,(H,23,24)(H2,19,20,21)/b6-5+