N-[(E)-[azanyl-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]methylidene]amino]-4-nitro-benzamide

Systemtic Name: N-[(E)-[azanyl-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]methylidene]amino]-4-nitro-benzamide Openeye Name: N-[(E)-[amino-[7-(diethylamino)-2-oxo-chromen-3-yl]methylene]amino]-4-nitro-benzamide CAS Name: N-[(E)-[amino-[7-(diethylamino)-2-oxo-1-benzopyran-3-yl]methylidene]amino]-4-nitrobenzamide IUPAC Name: N-[(E)-[amino-[7-(diethylamino)-2-oxochromen-3-yl]methylidene]amino]-4-nitrobenzamide Traditional Name: N-[(E)-[amino-[7-(diethylamino)-2-keto-chromen-3-yl]methylene]amino]-4-nitro-benzamide Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)/C(=N\NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])/N

InChI

InChI=1S/C21H21N5O5/c1-3-25(4-2)16-10-7-14-11-17(21(28)31-18(14)12-16)19(22)23-24-20(27)13-5-8-15(9-6-13)26(29)30/h5-12H,3-4H2,1-2H3,(H2,22,23)(H,24,27)