N-[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]-7-methoxy-6-nitro-quinazolin-4-amine

Systemtic Name: N-[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]-7-methoxy-6-nitro-quinazolin-4-amine Openeye Name: N-[3-chloro-4-(2-pyridylmethoxy)phenyl]-7-methoxy-6-nitro-quinazolin-4-amine CAS Name: N-[3-chloro-4-(2-pyridinylmethoxy)phenyl]-7-methoxy-6-nitro-4-quinazolinamine IUPAC Name: N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-7-methoxy-6-nitroquinazolin-4-amine Traditional Name: [3-chloro-4-(2-pyridylmethoxy)phenyl]-(7-methoxy-6-nitro-quinazolin-4-yl)amine Formula: C21H16ClN5O4 MolecularWeight: 437.83584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN5O4/c1-30-20-10-17-15(9-18(20)27(28)29)21(25-12-24-17)26-13-5-6-19(16(22)8-13)31-11-14-4-2-3-7-23-14/h2-10,12H,11H2,1H3,(H,24,25,26)