4-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-nitro-benzaldehyde

Systemtic Name: 4-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-nitro-benzaldehyde Openeye Name: 4-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-nitro-benzaldehyde CAS Name: 4-[[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]-3-nitrobenzaldehyde IUPAC Name: 4-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-3-nitrobenzaldehyde Traditional Name: 4-[[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]-3-nitro-benzaldehyde Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

COCCN1C(=O)C2=CC=CC=C2N=C1SC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S/c1-26-9-8-20-17(23)13-4-2-3-5-14(13)19-18(20)27-16-7-6-12(11-22)10-15(16)21(24)25/h2-7,10-11H,8-9H2,1H3