(2R)-4-[(4-ethoxy-2-nitro-phenyl)amino]-4-oxidanylidene-2-[[(2S)-oxolan-2-yl]methylazaniumyl]butanoate

Systemtic Name: (2R)-4-[(4-ethoxy-2-nitro-phenyl)amino]-4-oxidanylidene-2-[[(2S)-oxolan-2-yl]methylazaniumyl]butanoate Openeye Name: (2R)-4-(4-ethoxy-2-nitro-anilino)-4-oxo-2-[[(2S)-tetrahydrofuran-2-yl]methylammonio]butanoate CAS Name: (2R)-4-(4-ethoxy-2-nitroanilino)-4-oxo-2-[[(2S)-2-oxolanyl]methylammonio]butanoate IUPAC Name: (2R)-4-(4-ethoxy-2-nitroanilino)-4-oxo-2-[[(2S)-oxolan-2-yl]methylazaniumyl]butanoate Traditional Name: (2R)-4-(4-ethoxy-2-nitro-anilino)-4-keto-2-[[(2S)-tetrahydrofuran-2-yl]methylammonio]butyrate Formula: C17H23N3O7 MolecularWeight: 381.38042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC2CCCO2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]C[C@@H]2CCCO2)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O7/c1-2-26-11-5-6-13(15(8-11)20(24)25)19-16(21)9-14(17(22)23)18-10-12-4-3-7-27-12/h5-6,8,12,14,18H,2-4,7,9-10H2,1H3,(H,19,21)(H,22,23)/t12-,14+/m0/s1