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

Systemtic Name: N-[2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]ethyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]ethyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[2-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]ethyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]ethyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-N-[2-[[(E)-3-(3-nitrophenyl)acryloyl]amino]ethyl]-1H-quinazoline-2-carboxamide Formula: C20H17N5O5 MolecularWeight: 407.37948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O5/c26-17(9-8-13-4-3-5-14(12-13)25(29)30)21-10-11-22-20(28)18-23-16-7-2-1-6-15(16)19(27)24-18/h1-9,12H,10-11H2,(H,21,26)(H,22,28)(H,23,24,27)/b9-8+