(6E)-6-[4-[[(2R)-2-azanylpropyl]amino]-1H-quinazolin-2-ylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[4-[[(2R)-2-azanylpropyl]amino]-1H-quinazolin-2-ylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[4-[[(2R)-2-aminopropyl]amino]-1H-quinazolin-2-ylidene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[4-[[(2R)-2-aminopropyl]amino]-1H-quinazolin-2-ylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[4-[[(2R)-2-aminopropyl]amino]-1H-quinazolin-2-ylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[4-[[(2R)-2-aminopropyl]amino]-1H-quinazolin-2-ylidene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC(=C2C=C(C=CC2=O)[N+](=O)[O-])NC3=CC=CC=C31)N

Isomeric SMILES

C[C@H](CNC1=N/C(=C/2\C=C(C=CC2=O)[N+](=O)[O-])/NC3=CC=CC=C31)N

InChI

InChI=1S/C17H17N5O3/c1-10(18)9-19-16-12-4-2-3-5-14(12)20-17(21-16)13-8-11(22(24)25)6-7-15(13)23/h2-8,10,20H,9,18H2,1H3,(H,19,21)/b17-13+/t10-/m1/s1