N-[(Z)-1-(3-nitrophenyl)butylideneamino]-9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

Systemtic Name: N-[(Z)-1-(3-nitrophenyl)butylideneamino]-9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Openeye Name: N-[(Z)-1-(3-nitrophenyl)butylideneamino]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide CAS Name: N-[(Z)-1-(3-nitrophenyl)butylideneamino]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide IUPAC Name: N-[(Z)-1-(3-nitrophenyl)butylideneamino]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Traditional Name: 9-keto-N-[(Z)-1-(3-nitrophenyl)butylideneamino]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NNC(=O)C1=CC2=C(C=C1)C(=O)N3CCCC3=N2)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCC/C(=N/NC(=O)C1=CC2=C(C=C1)C(=O)N3CCCC3=N2)/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O4/c1-2-5-18(14-6-3-7-16(12-14)27(30)31)24-25-21(28)15-9-10-17-19(13-15)23-20-8-4-11-26(20)22(17)29/h3,6-7,9-10,12-13H,2,4-5,8,11H2,1H3,(H,25,28)/b24-18-