N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-N-[3-[[(E)-3-(3-nitrophenyl)acryloyl]amino]propyl]-1H-quinazoline-2-carboxamide Formula: C21H19N5O5 MolecularWeight: 421.40606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=O)NCCCNC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=O)NCCCNC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O5/c27-18(10-9-14-5-3-6-15(13-14)26(30)31)22-11-4-12-23-21(29)19-24-17-8-2-1-7-16(17)20(28)25-19/h1-3,5-10,13H,4,11-12H2,(H,22,27)(H,23,29)(H,24,25,28)/b10-9+